Dametralast , CAS No.71680-63-2

CAS: 71680-63-2 Cat. No.: D1049747 분자식: C₆H₈N₆ 분자량: 164.170

Storage

Room temperature

Specifications

보관 조건

Room temperature

이름과 식별자

• 정식 스마일: CC1=NN2C(=C1)N=C(N=C2N)N
• IUPAC Name: 7-methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
• InChIKey: CDMRMPWJHYFXJJ-UHFFFAOYSA-N
• INCHI: 1S/C6H8N6/c1-3-2-4-9-5(7)10-6(8)12(4)11-3/h2H,1H3,(H4,7,8,9,10)
• 분자량: 164.170

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyrazolotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyrazolotriazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolotriazines
• Alternative Parents: Pyrazolo[1,5-a][1,3,5]triazines 1,3,5-triazine-2,4-diamines 1,3,5-triazines Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[1,5-a][1,3,5]triazine - Pyrazolotriazine - 2,4-diamine-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Azole - Pyrazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Primary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Triazine is a 6-membered ring consisting of three carbon atoms and three nitrogen centers.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 분자량: 164.170 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 164.081 Da
• Monoisotopic Mass: 164.081 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 173.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 71680-63-2, the molecular formula is C6H8N6, and the molecular weight is 164.170 g/mol. InChIKey CDMRMPWJHYFXJJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.